Compound C10H12N4O5S

3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 81546-15-8

Molecular Formula	`C10H12N4O5S`
Molecular Weight	300.29 g/mol
LogP	-2.0
Topological Polar Surface Area	131.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	300.05283
Heavy Atoms	20
Complexity	573.0

Chemical Identifiers

CAS Number	81546-15-8
SMILES	`CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3`
InChIKey	`LPQZKKCYTLCDGQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C10H12N4O5S (CAS: 81546-15-8) is a chemical compound with molecular formula C10H12N4O5S and molecular weight 300.29 g/mol. Its IUPAC systematic name is 3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP -2.0 Topological Polar Surface Area 131.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 300.05283 Heavy Atoms 20 Complexity 573.0 InChI Key: LPQZKKCYTLCDGQ-UHFFFAOYSA-N. SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.

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